Mereiter Kurt
Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164SC, A-1060 Vienna, Austria.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1778-9. doi: 10.1107/S1600536811023166. Epub 2011 Jun 22.
The mol-ecule of the title compound [systematic name: methyl 2-({[4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazin-2-yl]carbamo-yl}sulfamo-yl)-3-methyl-benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl-amino-triazinyl-urea group with a short intra-molecular N-H⋯N hydrogen bond to a triazine N atom. An intra-molecular dipole-dipole inter-action between the sulfamide and carboxyl-ate groups, with O(s)⋯C(c) = 2.800 (1) Å and N(s)⋯O(c) = 2.835 (1) Å, controls the orientation of the methyl-benzoate group and the shape of the mol-ecule. The crystal structure is stabilized by inter-molecular N-H⋯N hydrogen bonding, C-H⋯X (X = N,O) inter-actions and arene π-π stacking.
